6-tert-butyl-N-[(E)-1-thiophen-2-ylethylideneamino]pyridazin-3-amine

C14H18N4S — CID 5489402

IUPAC6-tert-butyl-N-[(E)-1-thiophen-2-ylethylideneamino]pyridazin-3-amine
SMILESC/C(=N\Nc1ccc(C(C)(C)C)nn1)c1cccs1
InChIInChI=1S/C14H18N4S/c1-10(11-6-5-9-19-11)15-17-13-8-7-12(16-18-13)14(2,3)4/h5-9H,1-4H3,(H,17,18)/b15-10+
InChIKeyBONCMWUOKFQJBF-XNTDXEJSSA-N
MW274.39 g/mol
LogP3.67
Rot. Bonds3

About 6-tert-butyl-N-[(E)-1-thiophen-2-ylethylideneamino]pyridazin-3-amine

6-tert-butyl-N-[(E)-1-thiophen-2-ylethylideneamino]pyridazin-3-amine (PubChem CID 5489402) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 6-tert-butyl-N-[(E)-1-thiophen-2-ylethylideneamino]pyridazin-3-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[(E)-1-thiophen-2-ylethylideneamino]pyridazin-3-amine
PubChem CID5489402
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name6-tert-butyl-N-[(E)-1-thiophen-2-ylethylideneamino]pyridazin-3-amine
SMILESC/C(=N\Nc1ccc(C(C)(C)C)nn1)c1cccs1
InChIInChI=1S/C14H18N4S/c1-10(11-6-5-9-19-11)15-17-13-8-7-12(16-18-13)14(2,3)4/h5-9H,1-4H3,(H,17,18)/b15-10+
InChIKeyBONCMWUOKFQJBF-XNTDXEJSSA-N
XLogP3.67
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[(E)-1-thiophen-2-ylethylideneamino]pyridazin-3-amine?
The IUPAC name of 6-tert-butyl-N-[(E)-1-thiophen-2-ylethylideneamino]pyridazin-3-amine (CID 5489402) is 6-tert-butyl-N-[(E)-1-thiophen-2-ylethylideneamino]pyridazin-3-amine.
What is the SMILES notation for 6-tert-butyl-N-[(E)-1-thiophen-2-ylethylideneamino]pyridazin-3-amine?
The canonical SMILES for 6-tert-butyl-N-[(E)-1-thiophen-2-ylethylideneamino]pyridazin-3-amine is C/C(=N\Nc1ccc(C(C)(C)C)nn1)c1cccs1.
What is the InChIKey of 6-tert-butyl-N-[(E)-1-thiophen-2-ylethylideneamino]pyridazin-3-amine?
The InChIKey is BONCMWUOKFQJBF-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H18N4S/c1-10(11-6-5-9-19-11)15-17-13-8-7-12(16-18-13)14(2,3)4/h5-9H,1-4H3,(H,17,18)/b15-10+.
What are the key properties of 6-tert-butyl-N-[(E)-1-thiophen-2-ylethylideneamino]pyridazin-3-amine?
6-tert-butyl-N-[(E)-1-thiophen-2-ylethylideneamino]pyridazin-3-amine has a molecular weight of 274.39 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[(E)-1-thiophen-2-ylethylideneamino]pyridazin-3-amine is sourced from PubChem (CID 5489402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).